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CS-W001157 4
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3-Chloro-1H-indole-2-carbonitrile

  • CAS No. 74960-46-6

  • Cat. No. CS-0186800
  • Molecule weight176.60
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Chloro-1H-indole-2-carbonitrile|CS-0186800

Structure of 74960-46-6

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General Information

  • CAS No. 74960-46-6
  • Cat. No. CS-0186800
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClN₂
  • Molecular Weight 176.60
  • Synonym(s) 3-chloro-2-cyanoindole
  • SMILES C1=CC=C2C(=C1)C(=C(C#N)N2)Cl

Synthesis

  • Route1
    • null|null
      942433-61-6
    • ~84%
    • 3-Chloro-1H-indole-2-carbonitrile|CS-0186800
      74960-46-6

    References

    • Richter Gedeon Nyrt.; Beke, Gyula; Bényei, Gyula Attila; Borza, István; Bozó, Éva; Farkas, Sándor; Hornok, Katalin; Papp, Andrea; Vágó, István; Vastag, Mónika Patent: US2013/217702 A1, 2013 ; Location in patent: Paragraph 0116 ;
  • Route2

    References

    • RICHTER GEDEON NYRT.; BEKE, Gyula; BENYEI, Gyula Attila; BORZA, Istvan; BOZO, Eva; FARKAS, Sandor; HORNOK, Katalin; PAPP, Andrea; VAGO, Istvan; VASTAG, Monika Patent: WO2012/59776 A1, 2012 ; WO 2012/059776 A1
  • Route3

    References

    • RICHTER GEDEON NYRT.; BEKE, Gyula; BENYEI, Gyula Attila; BORZA, Istvan; BOZO, Eva; FARKAS, Sandor; HORNOK, Katalin; PAPP, Andrea; VAGO, Istvan; VASTAG, Monika Patent: WO2012/59776 A1, 2012 ; WO 2012/059776 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.69298
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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